67655-83-8

Basic information

• Product Name: Ethanone, 2,2,2-trifluoro-1-phenyl-, oxime, (E)-
• CAS NO: 67655-83-8
• Molecular Formula: C8H6F3NO
• Molecular Weight: 189.137
• Mol File: 67655-83-8.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: Ethanone, 2,2,2-trifluoro-1-phenyl-, oxime, (E)-(CAS DataBase Reference)
• NIST Chemistry Reference: Ethanone, 2,2,2-trifluoro-1-phenyl-, oxime, (E)-(67655-83-8)
• EPA Substance Registry System: Ethanone, 2,2,2-trifluoro-1-phenyl-, oxime, (E)-(67655-83-8)

Safety Data

• Hazardous Substances Data: 67655-83-8(Hazardous Substances Data)

Upstream product

• 655-25-4 2,2,2-trifluoroacetophenone oxime 
• 434-45-7 2,2,2-Trifluoroacetophenone 

Downstream Products

• 88485-38-5 1-phenyl-1-(1,3-dioxolan-2-ylmethoximino)-2,2,2-trifluoroethane 
• 51586-24-4 1-amino-2,2,2-trifluoro-1-phenylethane 

Relevant articles and documents

Quantum chemical calculation of 19F NMR chemical shifts of trifluoromethyl diazirine photoproducts and precursors

Irradiation of aryl(trifluoromethyl)diazirines may result in a multitude of products, which are difficult to assign in the 19F NMR spectrum. In this article, it is demonstrated that an average accuracy of 2.9 ppm (standard deviation) can be achieved by quantum chemical calculations at the B3LYP 6-311G++(2d,2p) level of theory, followed by a Boltzmann weighting of the optimized conformers. A set of 30 compounds was investigated both experimentally and theoretically. 19F NMR chemical shifts of precursor Z-oximes and Z-tosyloximes ranged from δF-62.9 to -61.8 ppm, whereas their E counterparts showed shifts between δF-67.2 and -66.2 ppm. Stereochemical assignments were confirmed by two X-ray analyses. Quantum chemical calculation also allowed the assignment of the configuration of an (E,E) azine. Trifluoromethyl diazirines exhibited a δFbetween -66.1 and -65.6, diaziridines between -76.2 and -75.9 ppm. The smallest δFvalues were observed for α-oxygenated trifluoromethyl compounds (δF-78.9 to -77.4 ppm). The average deviation of the calculated from the experimental values corresponds to only about 1% of the standard 19F NMR chemical shift range.

THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS

Disclosed are novel compounds of the formula (IA) and the pharmaceutically acceptable salts and solvates thereof. Examples of groups comprising Substituent A include heteroaryl, aryl, heterocycloalkyl, cycloalkyl, aryl, alkynyl, alkenyl, aminoalkyl, alkyl or amino. Examples of groups comprising Substituent B include aryl and heteroaryl. Also disclosed is a method of treating a chemokine mediated diseases, such as, cancer, angiogenisis, angiogenic ocular diseases, pulmonary diseases, multiple sclerosis, rheumatoid arthritis, osteoarthritis, stroke and cardiac reperfusion injury, acute pain, acute and chronic inflammatory pain, and neuropathic pain using a compound of formula (IA).